SCHEMBL11652148

SCHEMBL11652148

CC(CCCCOc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.56
KCNA3 P22001 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 1/20 0.52
RARB P10826 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALOX5 P09917 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6920635 0.95 TDP1 (0.59) LTB4RKCNA3TDP1HPGDL3MBTL1
SCHEMBL1716121 0.89 MAPK1 (0.53) KCNA3TDP1HPGDL3MBTL1ALOX5
SCHEMBL1803119 0.87 RAB9A (0.55) L3MBTL1ALOX5PPARGPPARA
SCHEMBL1801997 0.85 LTB4R (0.57) LTB4RTDP1HPGDRARBL3MBTL1
SCHEMBL5514899 0.84 TDP1 (0.63) KCNA3TDP1HPGDL3MBTL1ALOX5
SCHEMBL4756791 0.82 TDP1 (0.61) KCNA3TDP1L3MBTL1PPARGPPARA
SCHEMBL5508343 0.82 TDP1 (0.61) KCNA3TDP1L3MBTL1PPARGPPARA
SCHEMBL1083669 0.81 TDP1 (0.49) KCNA3TDP1HPGDRARBL3MBTL1
SCHEMBL1064263 0.81 TDP1 (0.49) KCNA3TDP1HPGDRARBL3MBTL1
SCHEMBL10933261 0.81 KCNA3 (0.57) KCNA3TDP1HPGDL3MBTL1ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4097496-A ANTIPROSTAGLANDIN ACTIVITY HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4083990-A ANTIPROSTAGLANDIN EFFECT HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 US disclosed
US-3984459-A ANTI-PROSTAGLANDINS HOECHST AKTIENGESELLSCHAFT (DT) 1976-10-05 US disclosed